3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide

C13H12BrN3O — CID 114051406

IUPAC3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cccnc2Br)c1
InChIInChI=1S/C13H12BrN3O/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyJVWNMZRSKCRKLD-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide

3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide (PubChem CID 114051406) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
PubChem CID114051406
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cccnc2Br)c1
InChIInChI=1S/C13H12BrN3O/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyJVWNMZRSKCRKLD-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106312918
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103819414
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
CID 114089631
3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide (CID 114051406) is 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2cccnc2Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide?
The InChIKey is JVWNMZRSKCRKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide?
3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide is sourced from PubChem (CID 114051406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).